From 2cee7e47aea5d13aa3c035125aecdfa4ab683477 Mon Sep 17 00:00:00 2001 From: Arvid Ihrig <ihrig@fhi-berlin.mpg.de> Date: Mon, 19 Mar 2018 11:17:36 +0100 Subject: [PATCH] added/updated license information --- LICENSE | 206 ++++++++++++++++++ parser/parser-turbomole/AOFORCEparser.py | 15 ++ parser/parser-turbomole/CCSDF12parser.py | 15 ++ parser/parser-turbomole/DSCFparser.py | 15 ++ parser/parser-turbomole/ESCFparser.py | 15 ++ parser/parser-turbomole/EmbeddingParser.py | 15 ++ parser/parser-turbomole/GRADparser.py | 15 ++ parser/parser-turbomole/GradientParser.py | 15 ++ parser/parser-turbomole/MethodParser.py | 15 ++ parser/parser-turbomole/OrbitalParser.py | 15 ++ parser/parser-turbomole/RICC2parser.py | 15 ++ parser/parser-turbomole/RIDFTparser.py | 15 ++ parser/parser-turbomole/RIRPAparser.py | 15 ++ parser/parser-turbomole/STATPTparser.py | 15 ++ parser/parser-turbomole/SystemParser.py | 15 ++ parser/parser-turbomole/TurbomoleCommon.py | 15 ++ .../TurbomoleControlInParser.py | 15 ++ parser/parser-turbomole/TurbomoleParser.py | 15 ++ parser/parser-turbomole/setup_paths.py | 15 ++ .../nomad_lab/parsers/TurbomoleParser.scala | 21 +- .../parsers/TurbomoleParserSpec.scala | 21 +- 21 files changed, 498 insertions(+), 20 deletions(-) create mode 100644 LICENSE diff --git a/LICENSE b/LICENSE new file mode 100644 index 0000000..4e391d1 --- /dev/null +++ b/LICENSE @@ -0,0 +1,206 @@ + Apache License + Version 2.0, January 2004 + http://www.apache.org/licenses/ + + TERMS AND CONDITIONS FOR USE, REPRODUCTION, AND DISTRIBUTION + + 1. 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We also recommend that a + file or class name and description of purpose be included on the + same "printed page" as the copyright notice for easier + identification within third-party archives. + + Copyright [yyyy] [name of copyright owner] + + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at + + http://www.apache.org/licenses/LICENSE-2.0 + + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. + +NOMAD Archive aSUBCOMPONENTS: + +The NOMAD Archive code includes a number of subcomponents +with separate copyright notices and license terms in the 3rd-party directory. diff --git a/parser/parser-turbomole/AOFORCEparser.py b/parser/parser-turbomole/AOFORCEparser.py index e34c4cb..9fbe1d2 100644 --- a/parser/parser-turbomole/AOFORCEparser.py +++ b/parser/parser-turbomole/AOFORCEparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the AOFORCE module from TurboMole""" import logging diff --git a/parser/parser-turbomole/CCSDF12parser.py b/parser/parser-turbomole/CCSDF12parser.py index 69692c7..af05b25 100644 --- a/parser/parser-turbomole/CCSDF12parser.py +++ b/parser/parser-turbomole/CCSDF12parser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the CCSDF12 module from TurboMole""" import logging diff --git a/parser/parser-turbomole/DSCFparser.py b/parser/parser-turbomole/DSCFparser.py index 1b27ae7..0578f3b 100644 --- a/parser/parser-turbomole/DSCFparser.py +++ b/parser/parser-turbomole/DSCFparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the DSCF module from TurboMole""" import logging diff --git a/parser/parser-turbomole/ESCFparser.py b/parser/parser-turbomole/ESCFparser.py index 9ea208b..27a6cdc 100644 --- a/parser/parser-turbomole/ESCFparser.py +++ b/parser/parser-turbomole/ESCFparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the ESCF module from TurboMole""" import logging diff --git a/parser/parser-turbomole/EmbeddingParser.py b/parser/parser-turbomole/EmbeddingParser.py index 9890705..9ef835d 100644 --- a/parser/parser-turbomole/EmbeddingParser.py +++ b/parser/parser-turbomole/EmbeddingParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import logging import numpy as np from nomadcore.simple_parser import SimpleMatcher as SM diff --git a/parser/parser-turbomole/GRADparser.py b/parser/parser-turbomole/GRADparser.py index dd7c98b..0c4f934 100644 --- a/parser/parser-turbomole/GRADparser.py +++ b/parser/parser-turbomole/GRADparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the GRAD module from TurboMole""" import logging diff --git a/parser/parser-turbomole/GradientParser.py b/parser/parser-turbomole/GradientParser.py index dab05e8..d36246b 100644 --- a/parser/parser-turbomole/GradientParser.py +++ b/parser/parser-turbomole/GradientParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import logging import re from functools import total_ordering diff --git a/parser/parser-turbomole/MethodParser.py b/parser/parser-turbomole/MethodParser.py index e44b7c7..fb116a6 100644 --- a/parser/parser-turbomole/MethodParser.py +++ b/parser/parser-turbomole/MethodParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import logging import numpy as np from nomadcore.simple_parser import SimpleMatcher as SM diff --git a/parser/parser-turbomole/OrbitalParser.py b/parser/parser-turbomole/OrbitalParser.py index cb25baf..b5830f9 100644 --- a/parser/parser-turbomole/OrbitalParser.py +++ b/parser/parser-turbomole/OrbitalParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import logging import numpy as np import os.path diff --git a/parser/parser-turbomole/RICC2parser.py b/parser/parser-turbomole/RICC2parser.py index f3eea98..d7aae03 100644 --- a/parser/parser-turbomole/RICC2parser.py +++ b/parser/parser-turbomole/RICC2parser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the RICC2 module from TurboMole""" import logging diff --git a/parser/parser-turbomole/RIDFTparser.py b/parser/parser-turbomole/RIDFTparser.py index 8ba76a0..dd9b2c1 100644 --- a/parser/parser-turbomole/RIDFTparser.py +++ b/parser/parser-turbomole/RIDFTparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the RIDFT module from TurboMole""" import logging diff --git a/parser/parser-turbomole/RIRPAparser.py b/parser/parser-turbomole/RIRPAparser.py index dfa16d9..4767062 100644 --- a/parser/parser-turbomole/RIRPAparser.py +++ b/parser/parser-turbomole/RIRPAparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the RIRPA module from TurboMole""" import logging diff --git a/parser/parser-turbomole/STATPTparser.py b/parser/parser-turbomole/STATPTparser.py index 791c39c..611fa53 100644 --- a/parser/parser-turbomole/STATPTparser.py +++ b/parser/parser-turbomole/STATPTparser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + """This module constructs the parser for the STATPT module from TurboMole""" import logging diff --git a/parser/parser-turbomole/SystemParser.py b/parser/parser-turbomole/SystemParser.py index f03b528..eb70d52 100644 --- a/parser/parser-turbomole/SystemParser.py +++ b/parser/parser-turbomole/SystemParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import logging import numpy as np diff --git a/parser/parser-turbomole/TurbomoleCommon.py b/parser/parser-turbomole/TurbomoleCommon.py index 7202cb7..ed62005 100644 --- a/parser/parser-turbomole/TurbomoleCommon.py +++ b/parser/parser-turbomole/TurbomoleCommon.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import logging from nomadcore.local_meta_info import loadJsonFile, InfoKindEl diff --git a/parser/parser-turbomole/TurbomoleControlInParser.py b/parser/parser-turbomole/TurbomoleControlInParser.py index e673d4d..917780b 100644 --- a/parser/parser-turbomole/TurbomoleControlInParser.py +++ b/parser/parser-turbomole/TurbomoleControlInParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + from builtins import object import setup_paths import numpy as np diff --git a/parser/parser-turbomole/TurbomoleParser.py b/parser/parser-turbomole/TurbomoleParser.py index a3efa9c..2abd730 100644 --- a/parser/parser-turbomole/TurbomoleParser.py +++ b/parser/parser-turbomole/TurbomoleParser.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + from future.utils import raise_ from builtins import object diff --git a/parser/parser-turbomole/setup_paths.py b/parser/parser-turbomole/setup_paths.py index e0a0fb0..fa739e3 100644 --- a/parser/parser-turbomole/setup_paths.py +++ b/parser/parser-turbomole/setup_paths.py @@ -1,3 +1,18 @@ +# Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika +# Fritz-Haber-Institut of the Max-Planck Society +# +# Licensed under the Apache License, Version 2.0 (the "License"); +# you may not use this file except in compliance with the License. +# You may obtain a copy of the License at +# +# http://www.apache.org/licenses/LICENSE-2.0 +# +# Unless required by applicable law or agreed to in writing, software +# distributed under the License is distributed on an "AS IS" BASIS, +# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. +# See the License for the specific language governing permissions and +# limitations under the License. + import sys, os, os.path baseDir = os.path.dirname(os.path.abspath(__file__)) commonDir = os.path.normpath(os.path.join(baseDir,"../../../../python-common/common/python")) diff --git a/src/main/scala/eu/nomad_lab/parsers/TurbomoleParser.scala b/src/main/scala/eu/nomad_lab/parsers/TurbomoleParser.scala index 69ed065..65f4540 100644 --- a/src/main/scala/eu/nomad_lab/parsers/TurbomoleParser.scala +++ b/src/main/scala/eu/nomad_lab/parsers/TurbomoleParser.scala @@ -1,17 +1,18 @@ /* - Copyright 2016-2017 The NOMAD Developers Group + Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika + Fritz-Haber-Institut of the Max-Planck Society - Licensed under the Apache License, Version 2.0 (the "License"); - you may not use this file except in compliance with the License. - You may obtain a copy of the License at + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at - http://www.apache.org/licenses/LICENSE-2.0 + http://www.apache.org/licenses/LICENSE-2.0 - Unless required by applicable law or agreed to in writing, software - distributed under the License is distributed on an "AS IS" BASIS, - WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. - See the License for the specific language governing permissions and - limitations under the License. + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. */ package eu.nomad_lab.parsers diff --git a/src/test/scala/eu/nomad_lab/parsers/TurbomoleParserSpec.scala b/src/test/scala/eu/nomad_lab/parsers/TurbomoleParserSpec.scala index c1ff5d0..ee67d1f 100644 --- a/src/test/scala/eu/nomad_lab/parsers/TurbomoleParserSpec.scala +++ b/src/test/scala/eu/nomad_lab/parsers/TurbomoleParserSpec.scala @@ -1,17 +1,18 @@ /* - Copyright 2016-2017 The NOMAD Developers Group + Copyright 2016-2018 Arvid Conrad Ihrig, Aliaksei Mazheika + Fritz-Haber-Institut of the Max-Planck Society - Licensed under the Apache License, Version 2.0 (the "License"); - you may not use this file except in compliance with the License. - You may obtain a copy of the License at + Licensed under the Apache License, Version 2.0 (the "License"); + you may not use this file except in compliance with the License. + You may obtain a copy of the License at - http://www.apache.org/licenses/LICENSE-2.0 + http://www.apache.org/licenses/LICENSE-2.0 - Unless required by applicable law or agreed to in writing, software - distributed under the License is distributed on an "AS IS" BASIS, - WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. - See the License for the specific language governing permissions and - limitations under the License. + Unless required by applicable law or agreed to in writing, software + distributed under the License is distributed on an "AS IS" BASIS, + WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. + See the License for the specific language governing permissions and + limitations under the License. */ package eu.nomad_lab.parsers -- GitLab