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nomad-lab
nomad-FAIR
Commits
05299e5a
Commit
05299e5a
authored
Jul 02, 2020
by
Markus Scheidgen
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Created a pypi deployable sdist.
parent
2ccd8a4f
Changes
4
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Showing
4 changed files
with
15 additions
and
4 deletions
+15
-4
LICENSE
LICENSE
+0
-0
README.md
README.md
+3
-2
dependencies/parsers/phonopy
dependencies/parsers/phonopy
+1
-1
setup.py
setup.py
+11
-1
No files found.
LICENSE
.txt
→
LICENSE
View file @
05299e5a
File moved
README.md
View file @
05299e5a
...
...
@@ -26,12 +26,12 @@ You can install the `nomad` Python package from source distribution with pip. Pl
note, that this will only install part of NOMAD's dependencies that will only allow
your to use NOMAD's client library, e.g. to access the NOMAD Archive.
```
pip install nomad
pip install nomad
-lab
```
To
**use the NOMAD parsers for example**
, install the
`parsing`
extra:
```
pip install nomad[parsing]
pip install nomad
-lab
[parsing]
nomad parse --show-backend <your-file-to-parse>
```
...
...
@@ -48,6 +48,7 @@ Omitted versions are plain bugfix releases with only minor changes and fixes.
### v0.8.1
-
switched to support Python 3.7
-
client library as pypi package
`nomad-lab`
### v0.8.0
-
new underlying datamodel that allows to maintain multiple domains
...
...
phonopy
@
99f57632
Compare
d054d15c
...
99f57632
Subproject commit
d054d15c08b6da05d8afded4410474bdea999717
Subproject commit
99f576323efc2aa8ede5b63b108d9fe6901a8795
setup.py
View file @
05299e5a
...
...
@@ -43,6 +43,7 @@ requirements.txt where specific comments are used to assign an extra to requirem
ignore_extra_requires
=
[
'optimade'
]
''' Dependencies where the extra_requires should not be added '''
def
parse_requirements
():
'''
Parses the requirements.txt file to extras install and extra requirements.
...
...
@@ -179,7 +180,7 @@ def compile_dependency_setup_kwargs(paths, **kwargs):
# 3. requires
local_install_requires
=
set
()
if
n
ot
name
in
ignore_extra_requires
:
if
n
ame
not
in
ignore_extra_requires
:
for
extra_require
in
local_kwargs
.
get
(
'extras_require'
,
{}).
values
():
for
require
in
extra_require
:
local_install_requires
.
add
(
require
)
...
...
@@ -234,17 +235,26 @@ def setup_kwargs():
from
nomad
import
config
install_requires
,
extras_require
=
parse_requirements
()
with
open
(
"README.md"
,
"r"
)
as
fh
:
long_description
=
fh
.
read
()
return
dict
(
name
=
'nomad-lab'
,
author
=
'NOMAD Laboratory'
,
author_email
=
'markus.scheidgen@physik.hu-berlin.de'
,
url
=
'https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR'
,
version
=
config
.
meta
.
version
,
license
=
'APACHE 2.0'
,
description
=
'The NOvel MAterials Discovery (NOMAD) Python package'
,
long_description
=
long_description
,
long_description_content_type
=
"text/markdown"
,
package_dir
=
{
''
:
'./'
},
packages
=
[
'nomad.%s'
%
pkg
for
pkg
in
find_packages
(
'./nomad'
)]
+
[
'nomad'
],
setup_requires
=
[
'pip'
,
'setuptools'
,
'wheel'
,
'fastentrypoints'
,
'numpy'
,
'pyyaml'
],
install_requires
=
install_requires
,
extras_require
=
extras_require
,
include_package_data
=
True
,
python_requires
=
'>=3.6'
,
entry_points
=
'''
[console_scripts]
nomad=nomad.cli:run_cli
...
...
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